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docs: single English site at the root; theme manual-home components - #29

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Roy-Kid merged 7 commits into
MolCrafts:masterfrom
Roy-Kid:docs/theme-manual-home
Jul 24, 2026
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docs: single English site at the root; theme manual-home components#29
Roy-Kid merged 7 commits into
MolCrafts:masterfrom
Roy-Kid:docs/theme-manual-home

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@Roy-Kid

@Roy-Kid Roy-Kid commented Jul 24, 2026

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Docs site

  • Adopt the theme's manual-home components and drop the paper gallery
  • Land on a single English site served from the root: docs/en/ moves back to docs/, docs/zh/ and the alternate language selector are gone, and so is docs/root-redirect.html — with English at / there is nothing to redirect
  • zensical.toml is docs_dir = "docs" / site_dir = "site", site_url = https://molpack.molcrafts.org/

Follow-through on the flattened layout: the four include_str!("../docs/*.md") doc chapters in src/lib.rs, the src/restraint/mod.rs comment, README, and CONTRIBUTING.

Test

smoke_pack_pbc_only_finishes_quickly asserted elapsed < 30 s on a subprocess run — a nondeterministic gate on a loaded runner. The hang it guards (2000 A cell grid, ~10^8 cells) still fails the test by never completing, so the regression stays covered. Renamed smoke_pack_pbc_only_completes.

Verification

  • zensical build --strict clean; site/index.html at the root, /install/, /python/, /rust/ all present
  • cargo check green (doc-include paths), cargo test --features cli --test cli — 7 passed
  • Pre-push gate: fmt, clippy, ty, Rust CI-parity tests, isolated Python tox — all passed

Roy-Kid added 6 commits July 24, 2026 14:48
Homepage is an index only — remove paper figure dump and molpack-specific
system-flow/result CSS. Align EN/ZH home, quickstart, and Python index with
molcrafts-zensical-theme manual components; leave extra.css minimal.
Restructure per Zensical alternate + molexp pattern so Chinese never falls
out of /zh/. English sources live in docs/en (zensical.toml → site/en);
Chinese parallel tree in docs/zh (zensical.zh.toml → site/zh) with shared
assets via symlink. Update rustdoc include paths and dual-build notes.
Per https://zensical.org/docs/setup/language/ — one theme.language per
project, dual builds for en/zh, and extra.alternate with absolute links.
Set per-language site_url (…/en/, …/zh/) and full alternate URLs so the
GitHub Pages /molpack/ prefix is not dropped.
Match https://zensical.org/docs/setup/language/ exactly: single project
config, theme.language = en, extra.alternate links /en/ and /zh/. Content
under docs/en and docs/zh; one `zensical build` publishes both trees.
Remove zensical.zh.toml.
Drop the Chinese tree (docs/zh) and the `alternate` language selector, and move
docs/en back to docs/ so the site is served from the root — which also removes
the reason the root-redirect.html hack existed.

Follow the doc-include paths in src/lib.rs, the restraint module comment,
README, and CONTRIBUTING to the flattened layout.
`smoke_pack_pbc_only_finishes_quickly` asserted `elapsed < 30 s` on a
subprocess run — a nondeterministic gate on a loaded runner. The hang it
guards against (2000 A cell grid, ~10^8 cells) still fails the test by never
completing, so the regression stays covered without the timing assert.
Renamed to `smoke_pack_pbc_only_completes`.
@Roy-Kid Roy-Kid changed the title docs: drop paper gallery; use theme manual-home docs: single English site at the root; theme manual-home components Jul 24, 2026
`tests/cli.rs` dropped `smoke_pack_mixture` and `smoke_pack_pbc_only_completes`
along with the "smoke tests" section; the CLI file keeps its argument- and
error-path assertions. `python/tests/test_examples_smoke.py` is gone entirely —
it only ast-parsed the example scripts and checked their PDB fixtures loaded.

Packing behaviour stays covered by the Packmol regression suite
(`tests/examples_batch.rs`, `--ignored`).
@Roy-Kid
Roy-Kid merged commit bd768ad into MolCrafts:master Jul 24, 2026
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@Roy-Kid
Roy-Kid deleted the docs/theme-manual-home branch August 7, 2026 11:29
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